3-hydroxy-3-methyl-octan-2-one | 109916-64-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-hydroxy-3-methyl-octan-2-one
• 英文别名: α-Oxy-α-methyl-α-n-amyl-aceton；Methyl-n-amyl-acetyl-carbinol；3-Hydroxy-3-methyl-octan-2-on；3-Methyl-octanol-(3)-on-(2)；3-Hydroxy-3-methyloctan-2-one
• CAS: 109916-64-5
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: NNYUQIKCYSZVAH-UHFFFAOYSA-N

物化性质

• 沸点：
  195.3±8.0 °C(Predicted)
• 密度：
  0.921±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-hydroxy-3-methyl-octan-2-one 、 甲酸乙酯 在 氢气 、 sodium hydride 作用下， 生成 2-Methyl-2-pentyl-furan-3-one
  参考文献：
  名称：

  Face selectivity in the [2+2] photoannelation of chiral 3(2h)-furanones with alkenes

  摘要：

  DOI：

  10.1016/s0040-4039(00)85376-9
• 作为产物：
  描述：

  3-甲基-1-辛炔-3-醇 在 硫酸 、 mercury(II) oxide 作用下， 生成 3-hydroxy-3-methyl-octan-2-one
  参考文献：
  名称：

  Leers, Bulletin de la Societe Chimique de France, 1926, vol. <4>39, p. 423

  摘要：

  DOI：

文献信息

• A Catalytic Deprotection ofS,S-,S,O- andO,O-Acetals Using Bi(NO3)3⋅5 H2O under Air
  作者：Naoki Komatsu、Azusa Taniguchi、Shinobu Wada、Hitomi Suzuki

  DOI：10.1002/1615-4169(200107)343:5<473::aid-adsc473>3.0.co;2-o

  日期：2001.7

  (1–50 mol %) under ambient conditions to regenerate the original carbonyl compounds in good to excellent yield. This mild, simple, and environmentally benign system is successfully applied to the deprotection of S,O- and O,O-acetals and is compatible with various functional groups. From the mechanistic study of the reaction, the catalytic cycle is considered to be composed of the following four steps: (1) the

  S，S -Acetals平滑地与空气脱保护的Bi（NO的催化量存在3）3 ⋅5ħ 2 O（1-50摩尔％）在环境条件下的良好的原始羰基化合物到再生高收率。这种温和，简单且对环境有益的系统已成功应用于S，O-和O，O-乙缩醛的脱保护，并与各种官能团兼容。从反应的机理研究来看，催化循环被认为由以下四个步骤组成：（1）S，S-乙缩醛的亚硝基attack离子是由Bi（）生成的亚硝基离子（NO +）的侵蚀而形成的。NO 3）3 ⋅5ħ 2 ö通过与NO的平衡2，（2）离子nitrososulfonium被水解，得到硫代半缩醛和thionitrite，（3）硫代半缩醛折叠到原始的羰基化合物和硫醇，其通过氧化NO +，得到二氧化硫和一氧化二氮通过亚硝酸盐，并且（4）NO捕获空气中的分子氧以再生NO 2。
• BALDWIN S. W.; MAZZUCKELLI T. J., TETRAHEDRON LETT., 27,(1986) N 49, 5975-5978
  作者：BALDWIN S. W.、 MAZZUCKELLI T. J.

  DOI：——

  日期：——
• COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION
  申请人：Ishida Kenya

  公开号：US20110117147A1

  公开（公告）日：2011-05-19

  The invention relates to a cooling sensation agent composition with a prolonged cool sensation effect comprising at least one compound selected from Formula (1) wherein each of A and B is a hydrogen atom or a hydrocarbon group which may have one or more substituents, in which A and B are not hydrogen atoms simultaneously, and the total number of carbon atoms in A and B is in the range of 6 to 18; and Formulae (2) to (4) wherein R1, R2, and R3 each represent a residue of an alcohol selected from 1-menthol, 1-isopulegol, 3-(1-menthoxy)propan-1,2-diol, 2-(1-menthoxy)ethan-1-ol, 3-(1-menthoxy)propan-1-ol, 2-methyl-3-(1-menthoxy)propan-1,2-diol and para-menthan-3,8-diol), and R4 represents a residue of a branched or straight-chain, cyclic or linear, or saturated or unsaturated alcohol having 6 to 18 carbon atoms that may have one or more aromatic rings that may have a condensed ring and substituent groups such as hydroxyl and ether groups; and R6 represents a hydrocarbon group having 11 to 19 carbon atoms that may be branched and contain one or more unsaturated bonds. The invention also relates to a sensory stimulation agent composition comprising the cooling sensation agent composition; a flavor or fragrance composition, a beverage or food product, a perfume or cosmetic product, a toiletry product, a daily utensil product or grocery, a fiber, a fiber product, a cloth or a medicine comprising the cooling sensation agent composition or the sensory stimulation agent composition; a production method thereof; a cooling processing method of a fiber, fiber product or a cloth, comprising compounding the cooling sensation agent composition or the sensory stimulation agent composition; and new compounds.
• US8632792B2
  申请人：——

  公开号：US8632792B2

  公开（公告）日：2014-01-21
• [EN] COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION<br/>[FR] COMPOSITION D'AGENT DE SENSATION DE FRAÎCHEUR ET COMPOSITION D'AGENT DE STIMULATION SENSORIELLE
  申请人：TAKASAGO PERFUMERY CO LTD

  公开号：WO2009123355A2

  公开（公告）日：2009-10-08

  The invention relates to a cooling sensation agent composition with a prolonged cool sensation effect comprising at least one compound selected from Formula (1) wherein each of A and B is a hydrogen atom or a hydrocarbon group which may have one or more substituents, in which A and B are not hydrogen atoms simultaneously, and the total number of carbon atoms in A and B is in the range of 6 to 18; and Formulae (2) to (4) wherein R1, R2, and R3 each represent a residue of an alcohol selected from l-menthol, l-isopulegol, 3-(l-menthoxy)propan-1,2-diol, 2-(l-menthoxy)ethan-1-ol, 3-(l-menthoxy)propan-1-ol, 2-methyl-3-(l-menthoxy)propan-1,2-diol and para-menthan-3,8-diol), and R4 represents a residue of a branched or straight-chain, cyclic or linear, or saturated or unsaturated alcohol having 6 to 18 carbon atoms that may have one or more aromatic rings that may have a condensed ring and substituent groups such as hydroxyl and ether groups; and R6 represents a hydrocarbon group having 11 to 19 carbon atoms that may be branched and contain one or more unsaturated bonds. The invention also relates to a sensory stimulation agent composition comprising the cooling sensation agent composition; a flavor or fragrance composition, a beverage or food product, a perfume or cosmetic product, a toiletry product, a daily utensil product or grocery, a fiber, a fiber product, a cloth or a medicine comprising the cooling sensation agent composition or the sensory stimulation agent composition; a production method thereof; a cooling processing method of a fiber, fiber product or a cloth, comprising compounding the cooling sensation agent composition or the sensory stimulation agent composition; and new compounds.